1F5T
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM |
| Spacegroup name | P 41 |
| Unit cell lengths | 116.178, 116.178, 142.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.830 - 3.000 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.27300 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 19.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.000 |
| Rmerge | 0.149 |
| Total number of observations | 520936 * |
| Number of reflections | 37719 |
| <I/σ(I)> | 10.5 |
| Completeness [%] | 99.2 |
| Redundancy | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | drop consists of 2 micro litter of protein solution and 1 micro litter of reservoir solution * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 1 | spermine | ||
| 4 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.5 (mM) | |
| 10 | 1 | reservoir | 10 (mM) | ||
| 11 | 1 | reservoir | spermine | 2 (mM) | |
| 2 | 1 | drop | DNA | 0.66 (mM) | |
| 3 | 1 | drop | Tris-HCl | 27 (mM) | |
| 4 | 1 | drop | 320 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 0.74 (mM) | |
| 6 | 1 | drop | 4.9 (mM) | ||
| 7 | 1 | drop | 49 (mM) | ||
| 8 | 1 | drop | 1.48 (mM) | ||
| 9 | 1 | reservoir | sodium cacodylate | 100 (mM) |
